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Identification
NameFurazabol
Accession NumberDB01514
Typesmall molecule
Groupsillicit
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
SaltsNot Available
Brand names
NameCompany
MiotolonDaiichi
Brand mixturesNot Available
CategoriesNot Available
CAS number1239-29-8
WeightAverage: 330.4644
Monoisotopic: 330.230728214
Chemical FormulaC20H30N2O2
InChI KeyRGLLOUBXMOGLDQ-IVEVATEUSA-N
InChI
InChI=1S/C20H30N2O2/c1-18-11-17-16(21-24-22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)23/h12-15,23H,4-11H2,1-3H3/t12-,13+,14-,15-,18-,19-,20-/m0/s1
IUPAC Name
(1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6-oxa-5,7-diazapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4,7-dien-17-ol
SMILES
[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=NON=C3C[C@]12C
Mass SpecNot Available
Taxonomy
KingdomOrganic Compounds
SuperclassLipids
ClassSteroids and Steroid Derivatives
SubclassAndrogens and Derivatives
Direct parentAndrogens and Derivatives
Alternative parentsHydroxysteroids; Tertiary Alcohols; Furazans; Cyclic Alcohols and Derivatives; Polyamines
Substituentscyclic alcohol; furazan; azole; oxadiazole; tertiary alcohol; polyamine; alcohol; organonitrogen compound
Classification descriptionThis compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.
Pharmacology
IndicationNot Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
Metabolism
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
ADMET
Predicted ADMET features
Property Value Probability
Human Intestinal Absorption + 1.0
Blood Brain Barrier + 0.9564
Caco-2 permeable + 0.5836
P-glycoprotein substrate Substrate 0.7034
P-glycoprotein inhibitor I Non-inhibitor 0.5547
P-glycoprotein inhibitor II Non-inhibitor 0.9066
Renal organic cation transporter Non-inhibitor 0.7822
CYP450 2C9 substrate Non-substrate 0.7399
CYP450 2D6 substrate Non-substrate 0.7865
CYP450 3A4 substrate Substrate 0.6629
CYP450 1A2 substrate Non-inhibitor 0.5561
CYP450 2C9 substrate Non-inhibitor 0.7852
CYP450 2D6 substrate Non-inhibitor 0.89
CYP450 2C19 substrate Non-inhibitor 0.6522
CYP450 3A4 substrate Non-inhibitor 0.6092
CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.7734
Ames test Non AMES toxic 0.6452
Carcinogenicity Non-carcinogens 0.8767
Biodegradation Not ready biodegradable 0.9941
Rat acute toxicity 1.9483 LD50, mol/kg Not applicable
hERG inhibition (predictor I) Weak inhibitor 0.8085
hERG inhibition (predictor II) Non-inhibitor 0.7679
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
Statesolid
Experimental Properties
PropertyValueSource
melting point152Ohta, G., Takegoshi,T., Onodera, T., Kasahara, A., Oshima, Y., Shimizu, M. and Ueno, K.; U.S. Patent 3,245,988; April 12,1966; assigned to Daiichi Seiyaku KK, Japan.
Predicted Properties
PropertyValueSource
water solubility2.77e-02 g/lALOGPS
logP4.3ALOGPS
logP2.97ChemAxon
logS-4.1ALOGPS
pKa (strongest basic)-0.51ChemAxon
physiological charge0ChemAxon
hydrogen acceptor count3ChemAxon
hydrogen donor count1ChemAxon
polar surface area59.15ChemAxon
rotatable bond count0ChemAxon
refractivity93.06ChemAxon
polarizability37.94ChemAxon
number of rings5ChemAxon
bioavailability1ChemAxon
rule of fiveYesChemAxon
Ghose filterYesChemAxon
Veber's ruleNoChemAxon
MDDR-like ruleNoChemAxon
Spectra
SpectraNot Available
References
Synthesis Reference

Ohta, G., Takegoshi,T., Onodera, T., Kasahara, A., Oshima, Y., Shimizu, M. and Ueno, K.; U.S. Patent 3,245,988; April 12,1966; assigned to Daiichi Seiyaku KK, Japan.

General ReferenceNot Available
External Links
ResourceLink
PubChem Compound14708
PubChem Substance46505276
ChemSpider14032
WikipediaFurazabol
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available
Comments
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Drug created on July 31, 2007 07:10 / Updated on April 24, 2014 13:50